spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]

C12H17NS — CID 19028905

IUPACspiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]
SMILESc1cc2c(s1)CCC1(CCCCN1)C2
InChIInChI=1S/C12H17NS/c1-2-7-13-12(5-1)6-3-11-10(9-12)4-8-14-11/h4,8,13H,1-3,5-7,9H2
InChIKeyYZFNQYYHPVSBLX-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.75
Rot. Bonds

About spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]

spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine] (PubChem CID 19028905) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine].

Molecular Properties

Compound Namespiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]
PubChem CID19028905
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Namespiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]
SMILESc1cc2c(s1)CCC1(CCCCN1)C2
InChIInChI=1S/C12H17NS/c1-2-7-13-12(5-1)6-3-11-10(9-12)4-8-14-11/h4,8,13H,1-3,5-7,9H2
InChIKeyYZFNQYYHPVSBLX-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]?
The IUPAC name of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine] (CID 19028905) is spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine].
What is the SMILES notation for spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]?
The canonical SMILES for spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine] is c1cc2c(s1)CCC1(CCCCN1)C2.
What is the InChIKey of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]?
The InChIKey is YZFNQYYHPVSBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-7-13-12(5-1)6-3-11-10(9-12)4-8-14-11/h4,8,13H,1-3,5-7,9H2.
What are the key properties of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]?
spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine] has a molecular weight of 207.34 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine] is sourced from PubChem (CID 19028905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).